N-(2-methylbutyl)-6-propylpyrimidin-4-amine

C12H21N3 — CID 62694370

IUPACN-(2-methylbutyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC(C)CC)ncn1
InChIInChI=1S/C12H21N3/c1-4-6-11-7-12(15-9-14-11)13-8-10(3)5-2/h7,9-10H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyYDNUESAJWMBUDV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.89
Rot. Bonds6

About N-(2-methylbutyl)-6-propylpyrimidin-4-amine

N-(2-methylbutyl)-6-propylpyrimidin-4-amine (PubChem CID 62694370) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(2-methylbutyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)-6-propylpyrimidin-4-amine
PubChem CID62694370
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(2-methylbutyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC(C)CC)ncn1
InChIInChI=1S/C12H21N3/c1-4-6-11-7-12(15-9-14-11)13-8-10(3)5-2/h7,9-10H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyYDNUESAJWMBUDV-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-(2-methylbutyl)-6-propylpyrimidin-4-amine (CID 62694370) is N-(2-methylbutyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methylbutyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-methylbutyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCC(C)CC)ncn1.
What is the InChIKey of N-(2-methylbutyl)-6-propylpyrimidin-4-amine?
The InChIKey is YDNUESAJWMBUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-6-11-7-12(15-9-14-11)13-8-10(3)5-2/h7,9-10H,4-6,8H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2-methylbutyl)-6-propylpyrimidin-4-amine?
N-(2-methylbutyl)-6-propylpyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 62694370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).